2-[[1-(4-tert-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole

Systemtic Name: 2-[[1-(4-tert-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole Openeye Name: 2-[1-(4-tert-butylphenyl)tetrazol-5-yl]sulfanyl-6-methylsulfonyl-1,3-benzothiazole CAS Name: 2-[[1-(4-tert-butylphenyl)-5-tetrazolyl]thio]-6-methylsulfonyl-1,3-benzothiazole IUPAC Name: 2-[1-(4-tert-butylphenyl)tetrazol-5-yl]sulfanyl-6-methylsulfonyl-1,3-benzothiazole Traditional Name: 2-[[1-(4-tert-butylphenyl)tetrazol-5-yl]thio]-6-mesyl-1,3-benzothiazole Formula: C19H19N5O2S3 MolecularWeight: 445.58146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=N2)SC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C19H19N5O2S3/c1-19(2,3)12-5-7-13(8-6-12)24-17(21-22-23-24)28-18-20-15-10-9-14(29(4,25)26)11-16(15)27-18/h5-11H,1-4H3